2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid

C14H21N3O4 — CID 82937508

IUPAC2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
SMILESCOCCN(C(=O)NCc1cc(C(=O)O)ccn1)C(C)C
InChIInChI=1S/C14H21N3O4/c1-10(2)17(6-7-21-3)14(20)16-9-12-8-11(13(18)19)4-5-15-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyXSIVOAGMKZXZOP-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.35
Rot. Bonds7

About 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid

2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid (PubChem CID 82937508) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
PubChem CID82937508
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
SMILESCOCCN(C(=O)NCc1cc(C(=O)O)ccn1)C(C)C
InChIInChI=1S/C14H21N3O4/c1-10(2)17(6-7-21-3)14(20)16-9-12-8-11(13(18)19)4-5-15-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyXSIVOAGMKZXZOP-UHFFFAOYSA-N
XLogP1.35
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277666
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82951662
2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277599
2-[[[2-ethoxyethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325401
2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325323
2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82948759
2-[[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325372
2-[[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 106916966
2-[(butan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277661
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(4-amino-2-methylbutanoyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277585
2-[(pentan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277665

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid (CID 82937508) is 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid is COCCN(C(=O)NCc1cc(C(=O)O)ccn1)C(C)C.
What is the InChIKey of 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is XSIVOAGMKZXZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10(2)17(6-7-21-3)14(20)16-9-12-8-11(13(18)19)4-5-15-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid?
2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 82937508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).